SCHEMBL1356550

SCHEMBL1356550

O=C(OC(C(=O)Nc1ccn(-c2ccc3ccccc3c2)n1)N1CCOCC1)C(=O)OC(C(=O)Nc1ccn(-c2ccc3ccccc3c2)n1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
AKR1C3 P42330 1/20 0.40
ELOVL1 Q9BW60 10/20 0.40
HTR2B P41595 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL1356496 0.71 SIGMAR1 (0.63) SIGMAR1SMN1; SMN2L3MBTL1
SCHEMBL1357638 0.69 SIGMAR1 (0.71) SIGMAR1HTR2BL3MBTL1
SCHEMBL1356203 0.63 SIGMAR1 (0.38) SIGMAR1SMN1; SMN2TSHR
SCHEMBL1356487 0.62 SIGMAR1 (0.57) SIGMAR1HTR2BSMN1; SMN2TSHR
SCHEMBL1357556 0.61 SIGMAR1 (0.80) SIGMAR1TSHRL3MBTL1
SCHEMBL1356701 0.61 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2TSHRHTT
SCHEMBL10417212 0.60 ABCB11 (0.74) MAPTSMN1; SMN2HTTMAPK10
SCHEMBL4745958 0.60 AKR1C3 (0.69) SIGMAR1AKR1C3MAPTSMN1; SMN2TSHR
SCHEMBL20485457 0.60 ELOVL1 (0.53) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL20485326 0.60 ELOVL1 (0.68) ELOVL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885AKR1C3 1291/4885ELOVL1 3352/4885
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885AKR1C3 1291/4885ELOVL1 3352/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.